Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 5/20 | 0.38 |
| ▸ | CES2 | O00748 | 4/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | DAO | P14920 | 1/20 | 0.38 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.36 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.36 |
| ▸ | GSK3B | P49841 | 1/20 | 0.36 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.36 |
| ▸ | AKT1 | P31749 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.35 |
| ▸ | MAPT | P10636 | 3/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.35 |
| ▸ | CA2 | P00918 | 2/20 | 0.35 |
| ▸ | CA4 | P22748 | 2/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.35 |
| ▸ | CA12 | O43570 | 2/20 | 0.35 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL9767733 | 0.86 | CES1 (0.42) | CES1CES2ALDH1A1TSHRDAO | |
| SCHEMBL9767728 | 0.86 | CES1 (0.42) | CES1CES2ALDH1A1TSHRDAO | |
| SCHEMBL9457418 | 0.81 | CES1 (0.35) | CES1CES2ALDH1A1TSHRDAO | |
| SCHEMBL9457396 | 0.81 | CES1 (0.38) | CES1CES2ALDH1A1TSHRDAO | |
| SCHEMBL9458212 | 0.79 | CES1 (0.44) | CES1CES2ALDH1A1TSHRDAO | |
| SCHEMBL9457435 | 0.74 | CES1 (0.39) | CES1CES2ALDH1A1TSHRDAO | |
| SCHEMBL9767649 | 0.74 | CES1 (0.39) | CES1CES2ALDH1A1TSHRDAO | |
| SCHEMBL9767575 | 0.74 | CES1 (0.39) | CES1CES2ALDH1A1TSHRDAO | |
| SCHEMBL9439539 | 0.74 | TDP1 (0.36) | ALDH1A1TSHRMAPK1TRPA1GSK3B | |
| SCHEMBL9767838 | 0.73 | CES1 (0.46) | CES1CES2ALDH1A1TSHRDAO |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5264605-A | Myoinsitol derivatives, process for preparing same, phosphorylating agent, and its utilization | MITSUI TOATSU CHEMICALS, INCORPORATED (JP) | 1993-11-23 | — | — | US | disclosed |
| EP-0431197-A1 | MYOINOSITOL DERIVATIVE AND METHOD OF PRODUCTION THEREOF, AND PHOSPHORYLATING AGENT AND ITS USE | MITSUI TOATSU CHEMICALS, Inc. (JP) | 1991-06-12 | — | — | EP | disclosed |